Published November 19, 2014
| Version v1
Dataset
Open
MD simulation trajectory and related files for POPC bilayer (Lipid14, Gromacs 4.5)
Creators
- 1. Aalto University
- 2. Max Planck Institute for Chemical Energy Conversion, Mlheim an der Ruhr, Germany
Description
Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, Lipid14 force field (http://dx.doi.org/10.1021/ct4010307), 50ns, T=303K, 72 POPC molecules, 2234 water molecules. This data is ran for the nmrlipids.blospot.fi project. More details from nmrlipids.blospot.fi and https://github.com/NMRLipids/nmrlipids.blogspot.fi. If data is used, please cite nmrlipids.blogspot.fi project.
Files
Files
(2.0 GB)
| Name | Size | Download all |
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md5:b6980c37b978b2205e0f792a01693c3d
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10.4 kB | Download |
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md5:ef41428d3c72f5ad38357f7c6ee340a8
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100.2 kB | Download |
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md5:a13bb64e954744be8ed5afb5941c8d06
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108 Bytes | Download |
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md5:ed196302d8a1ef473d0a3cdbe0255575
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1.1 MB | Download |
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md5:276aaabf93d13485bc864e9c805972f2
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434.8 kB | Download |
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md5:97c1fde5d0208aa9a318ad85e5638f2d
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2.0 GB | Download |
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md5:8d846e776c312353ace9cda67d370634
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802 Bytes | Download |
Additional details
References
- nmrlipids.blogspot.fi
- Dickson et al. J. Chem. Theory Comput., 2014, 10 (2), pp 865–879